compound 0093761

Properties Image MNX_ID MNXM1198045 reference envipathM:...fee06bc5459b formula C12H12Cl4O4 global charge 0 mol weight 362.036 InChIKey SCLAXYMPEKUUJN-UHFFFAOYSA-N InChI InChI=1S/C12H12Cl4O4/c13-5-3-11(15)8(18)7(12(5,16)10(11)14)4-1-2-6(17)20-9(4)19/h4-5,7,9-10,19H,1-3H2 SMILES O=C1CCC(C2C(=O)C3(Cl)CC(Cl)C2(Cl)C3Cl)C(O)O1 MNX internals InChI (mnx) InChI=1/C12H12Cl4O4/c13-5-3-11(15)8(18)7(12(5,16)10(11)14)4-1-2-6(17)20-9(4)19/h4-5,7,9-10,19H,1-3H2/t4?,5?,7?,9?,10?,11?,12? SMILES (mnx) [CH2:1]1[CH2:2][C:6](=[O:17])[O:20][CH:9]([OH:19])[CH:4]1[CH:7]1[C:8](=[O:18])[C:11]2([Cl:15])[CH2:3][CH:5]([Cl:13])[C:12]1([Cl:16])[CH:10]2[Cl:14]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0